[4-[[pentanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[pentanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(pentanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-oxopentyl-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(pentanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(valeryl)amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C20H25NO4S/c1-3-4-10-20(22)21(15-17-8-6-5-7-9-17)16-18-11-13-19(14-12-18)25-26(2,23)24/h5-9,11-14H,3-4,10,15-16H2,1-2H3